2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide

C12H16BrNO2 — CID 107905549

IUPAC2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C(C)Br
InChIInChI=1S/C12H16BrNO2/c1-8(13)12(15)14-9(2)10-6-4-5-7-11(10)16-3/h4-9H,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyBMNQXIOEEVVIJH-YGPZHTELSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds4

About 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide

2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 107905549) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID107905549
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)C(C)Br
InChIInChI=1S/C12H16BrNO2/c1-8(13)12(15)14-9(2)10-6-4-5-7-11(10)16-3/h4-9H,1-3H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyBMNQXIOEEVVIJH-YGPZHTELSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide (CID 107905549) is 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1[C@@H](C)NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is BMNQXIOEEVVIJH-YGPZHTELSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(13)12(15)14-9(2)10-6-4-5-7-11(10)16-3/h4-9H,1-3H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide?
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 286.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 107905549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).